azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate

C6H18N4O7 — CID 174675745

IUPACazane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate
SMILESC[N+](C)(C)CC1CO1.N.O=[N+]([O-])O.O=[N+]([O-])[O-]
InChIInChI=1S/C6H14NO.HNO3.NO3.H3N/c1-7(2,3)4-6-5-8-6;2*2-1(3)4;/h6H,4-5H2,1-3H3;(H,2,3,4);;1H3/q+1;;-1;
InChIKeyZLFONTGFYGIWPP-UHFFFAOYSA-N
MW258.23 g/mol
LogP-0.33
Rot. Bonds2

About azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate

azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate (PubChem CID 174675745) has the molecular formula C6H18N4O7 and a molecular weight of 258.23 g/mol. Its IUPAC name is azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate.

Molecular Properties

Compound Nameazane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate
PubChem CID174675745
Molecular FormulaC6H18N4O7
Molecular Weight258.23 g/mol
Exact Mass258.12
IUPAC Nameazane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate
SMILESC[N+](C)(C)CC1CO1.N.O=[N+]([O-])O.O=[N+]([O-])[O-]
InChIInChI=1S/C6H14NO.HNO3.NO3.H3N/c1-7(2,3)4-6-5-8-6;2*2-1(3)4;/h6H,4-5H2,1-3H3;(H,2,3,4);;1H3/q+1;;-1;
InChIKeyZLFONTGFYGIWPP-UHFFFAOYSA-N
XLogP-0.33
TPSA177.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate?
The IUPAC name of azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate (CID 174675745) is azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate.
What is the SMILES notation for azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate?
The canonical SMILES for azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate is C[N+](C)(C)CC1CO1.N.O=[N+]([O-])O.O=[N+]([O-])[O-].
What is the InChIKey of azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate?
The InChIKey is ZLFONTGFYGIWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO.HNO3.NO3.H3N/c1-7(2,3)4-6-5-8-6;2*2-1(3)4;/h6H,4-5H2,1-3H3;(H,2,3,4);;1H3/q+1;;-1;.
What are the key properties of azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate?
azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate has a molecular weight of 258.23 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate is sourced from PubChem (CID 174675745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).